Geometry & MOs

Info

ID:	32635
PubChem CID:	7847014
Reduced:	BrNSO2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	2.37
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(=O)CCC2=NC3=CC=CC=C3S2)Br

DOS

IR

Vibrations